dipropyl pyridine-2,5-dicarboxylate

C13H17NO4 — CID 8693

IUPACdipropyl pyridine-2,5-dicarboxylate
SMILESCCCOC(=O)c1ccc(C(=O)OCCC)nc1
InChIInChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyIITCWRFYJWUUPC-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.22
Rot. Bonds6

About dipropyl pyridine-2,5-dicarboxylate

dipropyl pyridine-2,5-dicarboxylate (PubChem CID 8693) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is dipropyl pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namedipropyl pyridine-2,5-dicarboxylate
PubChem CID8693
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namedipropyl pyridine-2,5-dicarboxylate
SMILESCCCOC(=O)c1ccc(C(=O)OCCC)nc1
InChIInChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyIITCWRFYJWUUPC-UHFFFAOYSA-N
XLogP2.22
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dipropyl pyridine-2,5-dicarboxylate?
The IUPAC name of dipropyl pyridine-2,5-dicarboxylate (CID 8693) is dipropyl pyridine-2,5-dicarboxylate.
What is the SMILES notation for dipropyl pyridine-2,5-dicarboxylate?
The canonical SMILES for dipropyl pyridine-2,5-dicarboxylate is CCCOC(=O)c1ccc(C(=O)OCCC)nc1.
What is the InChIKey of dipropyl pyridine-2,5-dicarboxylate?
The InChIKey is IITCWRFYJWUUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of dipropyl pyridine-2,5-dicarboxylate?
dipropyl pyridine-2,5-dicarboxylate has a molecular weight of 251.28 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl pyridine-2,5-dicarboxylate is sourced from PubChem (CID 8693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).